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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-720912
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 44
Number of elements: 5
Element list: ['K', 'Zn', 'H', 'Br', 'O']
Chemical System: Br-H-K-O-Zn
Density: 2.9089487194771624
Atomic Density: 0.05067696415247548
Unit Cell Volume: 868.2445907299023
Molar Volume: 11.88338895337287
Full Formula: K4 Zn4 H16 Br12 O8
Reduced Formula: KZnH4Br3O2
Formula Anonymous: ABC2D3E4
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -184.84869479
Final energy per atom: -4.201106699772727
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.